UCSF

ZINC40164471

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.77 11.73 -139.07 6 12 -2 226 623.769 25
Hi High (pH 8-9.5) -0.77 11.52 -162.93 5 12 -3 225 622.761 25
Lo Low (pH 4.5-6) -0.77 9.73 -90.79 7 12 -1 224 624.777 25

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )